(phenylmethyl) (2S)-2-[6-(3-methoxyphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[6-(3-methoxyphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[6-(3-methoxyphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[6-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[6-(3-methoxyphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[6-(3-methoxyphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC3=C(C=C2)N=C(N3)C4CCCN4C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC3=C(C=C2)N=C(N3)[C@@H]4CCCN4C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3/c1-31-21-10-5-9-19(15-21)20-12-13-22-23(16-20)28-25(27-22)24-11-6-14-29(24)26(30)32-17-18-7-3-2-4-8-18/h2-5,7-10,12-13,15-16,24H,6,11,14,17H2,1H3,(H,27,28)/t24-/m0/s1